Basic information
- Standard SMILES
O=C(O)c1ccc(CN2CCCCC2)cc1[N+](=O)[O-]- InChIKey
XKEUDNICITUFPK-UHFFFAOYSA-N- Molecular formula
- C13H16N2O4
- Average molar mass
- 264.28 g/mol
Names & identifiers
- Preferred name
- 2-Nitro-4-(piperidin-1-ylmethyl)benzoic acid
- IUPAC
- 2-nitro-4-(piperidin-1-ylmethyl)benzoic acid
Names & synonyms
SCHEMBL28784218
Database identifiers
- PubChem CID
- 68671002
Properties
Computed structural properties
- XLogP
- -0.3
- Topological polar surface area
- 86.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 336
Related reactions
1 records
Compound notes
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